TL;DR: 2,4-Dinitrophenylhydrazone mesityl oxide (CAS 1388814-30-9) is a chemical compound with molecular formula C12H14N4O4 and molecular weight 278.1015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-4-methylpent-3-en-2-ylideneamino]-2,4-dinitroaniline
Also Known As: 2,4-dinitrophenylhydrazone mesityl oxide, 4-Methyl-3-penten-2-one 2-(2,4-dinitrophenyl)hydrazone, (2E)-1-(2,4-dinitrophenyl)-2-(4-methylpent-3-en-2-ylidene)hydrazine, (E)-1-(2,4-DINITROPHENYL)-2-(4-METHYLPENT-3-EN-2-YLIDENE)HYDRAZINE
| Molecular Formula | C12H14N4O4 |
| Molecular Weight | 278.1015 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.1015 Da |
| Heavy Atoms | 20 |
| Complexity | 432.0 |
| SMILES | CC(=C/C(=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C)C |
| InChIKey | SSLSXQIXHWKSFL-UKTHLTGXSA-N |
The XLogP value of 4.5 indicates that 2,4-Dinitrophenylhydrazone mesityl oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dinitrophenylhydrazone mesityl oxide. Following Lipinski's Rule of Five, 2,4-Dinitrophenylhydrazone mesityl oxide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,4-Dinitrophenylhydrazone mesityl oxide is 1388814-30-9.
The molecular formula of 2,4-Dinitrophenylhydrazone mesityl oxide is C12H14N4O4.
The molecular weight of 2,4-Dinitrophenylhydrazone mesityl oxide is 278.1015 g/mol.
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